(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone

C15H11F2IO — CID 114029200

IUPAC(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2I)cc(C)c1F
InChIInChI=1S/C15H11F2IO/c1-8-5-10(6-9(2)14(8)17)15(19)12-4-3-11(16)7-13(12)18/h3-7H,1-2H3
InChIKeyBANWUSFJXGGWHH-UHFFFAOYSA-N
MW372.15 g/mol
LogP4.42
Rot. Bonds2

About (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone

(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone (PubChem CID 114029200) has the molecular formula C15H11F2IO and a molecular weight of 372.15 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
PubChem CID114029200
Molecular FormulaC15H11F2IO
Molecular Weight372.15 g/mol
Exact Mass371.98
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2I)cc(C)c1F
InChIInChI=1S/C15H11F2IO/c1-8-5-10(6-9(2)14(8)17)15(19)12-4-3-11(16)7-13(12)18/h3-7H,1-2H3
InChIKeyBANWUSFJXGGWHH-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.15
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
CID 114029198
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874285
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone (CID 114029200) is (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone is Cc1cc(C(=O)c2ccc(F)cc2I)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is BANWUSFJXGGWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2IO/c1-8-5-10(6-9(2)14(8)17)15(19)12-4-3-11(16)7-13(12)18/h3-7H,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone?
(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 372.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 114029200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).